REMARK  Name = BDB047769
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.272   1.076   0.733  0.00  0.00    +0.129 A 
ATOM      2  C   LIG    1       -2.078  -0.036   0.409  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1       -1.517  -1.072  -0.360  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1       -0.205  -1.002  -0.828  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        0.587   0.099  -0.502  0.00  0.00    -0.009 A 
ATOM      6  C   LIG    1        0.052   1.133   0.279  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        1.978   0.181  -0.989  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1        2.406   0.746  -2.286  0.00  0.00    -0.001 A 
ATOM      9  C   LIG    1        3.763   0.764  -2.616  0.00  0.00    +0.065 A 
ATOM     10  C   LIG    1        4.151   1.300  -3.835  0.00  0.00    +0.124 A 
ATOM     11  N   LIG    1        3.281   1.813  -4.738  0.00  0.00    -0.262 NA
ATOM     12  C   LIG    1        1.974   1.785  -4.402  0.00  0.00    +0.111 A 
ATOM     13  C   LIG    1        4.770   0.222  -1.682  0.00  0.00    +0.260 A 
ATOM     14  O   LIG    1        5.958   0.250  -1.991  0.00  0.00    -0.267 OA
ATOM     15  N   LIG    1        4.279  -0.297  -0.483  0.00  0.00    -0.317 N 
ATOM     16  C   LIG    1        5.214  -0.853   0.485  0.00  0.00    +0.152 C 
ATOM     17  C   LIG    1        1.494   1.270  -3.207  0.00  0.00    +0.029 A 
ATOM     18  C   LIG    1        2.930  -0.305  -0.172  0.00  0.00    +0.098 A 
ENDBRANCH   5   7
BRANCH   1  20
ATOM     19  C   LIG    1       -1.085   3.184   1.850  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1       -1.868   2.053   1.489  0.00  0.00    -0.495 OA
ENDBRANCH   1  20
BRANCH   3  21
ATOM     21  O   LIG    1       -2.295  -2.137  -0.739  0.00  0.00    -0.495 OA
ATOM     22  C   LIG    1       -1.948  -3.301   0.013  0.00  0.00    +0.277 C 
ENDBRANCH   3  21
BRANCH   2  23
ATOM     23  C   LIG    1       -3.517  -0.133   0.882  0.00  0.00    +0.126 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.709  -1.040   2.036  0.00  0.00    -0.304 NA
ATOM     25  C   LIG    1       -3.141  -0.474   3.261  0.00  0.00    +0.104 C 
ATOM     26  C   LIG    1       -5.137  -1.300   2.225  0.00  0.00    +0.104 C 
ENDBRANCH  23  24
ENDBRANCH   2  23
TORSDOF 5